{4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}(3,5-dimethylpiperidin-1-yl)methanone
Chemical Structure Depiction of
{4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}(3,5-dimethylpiperidin-1-yl)methanone
{4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}(3,5-dimethylpiperidin-1-yl)methanone
Compound characteristics
Compound ID: | K781-2303 |
Compound Name: | {4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}(3,5-dimethylpiperidin-1-yl)methanone |
Molecular Weight: | 404.91 |
Molecular Formula: | C20 H21 Cl N2 O3 S |
Smiles: | CC1CC(C)CN(C1)C(c1ccc(c(c1)[N+]([O-])=O)Sc1cccc(c1)[Cl])=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.6756 |
logD: | 5.6756 |
logSw: | -5.8978 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 49.563 |
InChI Key: | KATHCPQCMLBCOY-UHFFFAOYSA-N |